Information card for entry 7213451

Structure parameters

• Formula: C28 H26 O2
• Calculated formula: C28 H26 O2
• SMILES: O(c1c(cc(c2ccc3c4c(ccc(c24)c2cc(c(OC)cc2)C)CC3)cc1)C)C
• Title of publication: The structure, modelling and dynamics of hindered 5,6-diarylacenaphthenes
• Authors of publication: Cross, Wendy; Hawkes, Geoffrey E.; Kroemer, Romano T.; Liedl, Klaus R.; Loerting, Thomas; Nasser, Rima; Pritchard, Robin G.; Steele, Melanie; Watkinson, Michael; Whiting, Andrew
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 459
• a: 10.547 ± 0.002 Å
• b: 11.975 ± 0.002 Å
• c: 9.011 ± 0.003 Å
• α: 111.51 ± 0.02°
• β: 92.85 ± 0.02°
• γ: 88.69 ± 0.02°
• Cell volume: 1057.5 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.2586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No